SCHEMBL5585319

SCHEMBL5585319

Clc1nccc(N2CCNCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.65
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3A P46098 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HRH4 Q9H3N8 3/20 0.52
PLD1 Q13393 1/20 0.51
BPTF Q12830 1/20 0.50
CYP1A2 P05177 4/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP2C9 P11712 2/20 0.49
ADRB2 P07550 1/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP3A4 P08684 2/20 0.49
HTR1A P08908 2/20 0.49
HTR2C P28335 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL31357639 0.98 HRH3 (0.63) HRH3HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL21815362 0.98 HRH3 (0.63) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL3949154 0.83 TRPV1 (0.51) HRH3HRH4CYP1A2TRPV1
SCHEMBL29519276 0.83 TRPV1 (0.51) HRH3HRH4CYP1A2TRPV1
SCHEMBL1427479 0.83 TRPV1 (0.51) HRH3HRH4TRPV1
SCHEMBL1088796 0.81 CXCR4 (0.51) HRH3HRH4CYP1A2TRPV1
SCHEMBL2087838 0.81 CXCR4 (0.51) HRH3HRH4CYP1A2TRPV1
SCHEMBL28219653 0.80 TRPV1 (0.49) HRH3HRH4TRPV1
SCHEMBL10970453 0.79 HRH3 (0.61) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL20991838 0.79 CCNT1 (0.48) HRH3KDM4ETRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
EP-3856737-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-04 EP disclosed
CN-112752755-A Heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-05-04 CN disclosed
WO-2020064792-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO disclosed
EP-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 EP disclosed
EP-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 EP disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 EP disclosed
CN-100451016-C Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2009-01-14 CN disclosed
CN-1267424-C Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor BIOVITRUM AB (SE) 2006-08-02 CN disclosed
CN-1479727-A Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor �Ȱ�ά����ķ�ɷݹ�˾ 2004-03-03 CN disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO disclosed
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP disclosed
EP-0063509-B1 2-PIPERAZINO-PYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE AS INTERMEDIATES IN THE MANUFACTURE OF MEDICAMENTS PHARMUKA LABORATOIRES (FR) 1985-02-20 EP disclosed
EP-0063509-A1 2-Piperazino-pyrimidine derivatives, processes for their preparation, medicaments containing them and their use as intermediates in the manufacture of medicaments PHARMUKA LABORATOIRES (FR) 1982-10-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, UACA HRH3 36/4885HTR3E 4486/4885HTR3B 3635/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HRH3 2101/4885HTR3E 2506/4885HTR3B 1922/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 HRH3 2101/4885HTR3E 2506/4885HTR3B 1922/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.